<div class="csl-bib-body">
<div class="csl-entry">Filipovic, L. (2025). From Atoms to Reactors: Multi-Scale Modeling for Semiconductor Fabrication. In <i>2025 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)</i> (pp. 1–4). IEEE. https://doi.org/10.1109/SISPAD66650.2025.11186356</div>
</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/225964
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dc.description.abstract
Accurately predicting surface topography evolution
is essential for manufacturing complex three-dimensional (3D)
semiconductor devices. To overcome the limitations of slow and
costly experimental development cycles, a predictive, physicsbased simulation approach that bridges multiple scales is required. This paper presents comprehensive multi-scale modeling
approaches that integrate simulations from the atomistic to the
reactor level. At the lowest scale, we use Density Functional
Theory (DFT) and Molecular Dynamics (MD), including machine
learning-enhanced methods, to derive fundamental parameters
like sticking coefficients and sputtering yields. These inform
robust feature-scale models implemented in the open-source
ViennaPS simulator, which captures complex surface kinetics by
tracking local properties such as species coverages, passivation
layer thickness, and physical damage. At the highest scale, reactor
simulations provide physically-based boundary conditions, while
surrogate models are developed to efficiently link equipment
settings to process outcomes. The predictive power of the methods is demonstrated through a calibrated model for selective
SiGe etching that accurately predicts etch profiles for different
device geometries and process conditions. This holistic approach
provides an end-to-end simulation capability, enabling predictive
process optimization and establishing a foundation for future
applications in automated process control and inverse design.
Index Terms—Multi-scale modeling, Semiconductor fabrication, Process TCAD, Topography simulation, Molecular Dynamics, Plasma etching, PECVD, DTCO.
en
dc.description.sponsorship
Christian Doppler Forschungsgesells
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dc.description.sponsorship
Global TCAD Solutions GmbH
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dc.description.sponsorship
Infineon Technologies Austria AG
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dc.language.iso
en
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dc.subject
DTCO
en
dc.subject
Molecular Dynamics
en
dc.subject
Multi-scale modeling
en
dc.subject
PECVD
en
dc.subject
Plasma etching
en
dc.subject
Process TCAD
en
dc.subject
Semiconductor fabrication
en
dc.subject
Topography simulation
en
dc.title
From Atoms to Reactors: Multi-Scale Modeling for Semiconductor Fabrication
en
dc.type
Inproceedings
en
dc.type
Konferenzbeitrag
de
dc.relation.isbn
979-8-3315-4883-4
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dc.description.startpage
1
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dc.description.endpage
4
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dc.relation.grantno
00000
-
dc.relation.grantno
AI-ModS
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dc.relation.grantno
6000013979
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dc.rights.holder
IEEE
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dc.type.category
Full-Paper Contribution
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tuw.booktitle
2025 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)
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tuw.peerreviewed
true
-
tuw.relation.publisher
IEEE
-
tuw.publication.invited
invited
-
tuw.project.title
Multi-Scale-Prozessmodellierung von Halbleiter-Bauelemente und -Sensoren
-
tuw.project.title
KI-gestützte Multi-Scale-Modellierung der Halbleiterfertigung
-
tuw.project.title
Virtuelle Technologieentwicklung - Important Project of Common European Interest Microelectronics/Communication Technologies
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tuw.researchinfrastructure
Vienna Scientific Cluster
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tuw.researchTopic.id
I6
-
tuw.researchTopic.id
C6
-
tuw.researchTopic.id
C1
-
tuw.researchTopic.name
Digital Transformation in Manufacturing
-
tuw.researchTopic.name
Modeling and Simulation
-
tuw.researchTopic.name
Computational Materials Science
-
tuw.researchTopic.value
20
-
tuw.researchTopic.value
40
-
tuw.researchTopic.value
40
-
tuw.publication.orgunit
E360-01 - Forschungsbereich Mikroelektronik
-
tuw.publication.orgunit
E056-04 - Fachbereich TU-DX: Towards Applications of 2D Materials
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tuw.publisher.doi
10.1109/SISPAD66650.2025.11186356
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dc.description.numberOfPages
4
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tuw.author.orcid
0000-0003-1687-5058
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tuw.event.name
2025 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)